SCHEMBL9602666

SCHEMBL9602666

CCOC(=O)C1CC(C=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FKBP1A P62942 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NPC1 O15118 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30289320 0.88 HSD17B10 (0.41) SMN1; SMN2HSD17B10HPGDLMNANPSR1
SCHEMBL9602784 0.88 MEN1 (0.38) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL9602781 0.88 MEN1 (0.38) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL9602404 0.86 MEN1 (0.38) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL9603055 0.85 MEN1 (0.38) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL8436951 0.83 MEN1 (0.43) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL8436953 0.83 MEN1 (0.43) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL13611696 0.83 MEN1 (0.43) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL10473457 0.83 MEN1 (0.43) MEN1KMT2AFKBP1AALDH1A1TSHR
SCHEMBL10473454 0.83 MEN1 (0.43) MEN1KMT2AFKBP1AALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
EP-0275820-A2 Unsaturated phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1988-07-27 EP disclosed